[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane

C12H24OSi — CID 45095070

IUPAC[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane
SMILESCC[C@@H]1C=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C12H24OSi/c1-5-11-8-6-7-9-12(10-11)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyRWDSZBBASKWVCD-NSHDSACASA-N
MW212.41 g/mol
LogP4.32
Rot. Bonds3

About [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane

[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane (PubChem CID 45095070) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane
PubChem CID45095070
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane
SMILESCC[C@@H]1C=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C12H24OSi/c1-5-11-8-6-7-9-12(10-11)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyRWDSZBBASKWVCD-NSHDSACASA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane (CID 45095070) is [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane is CC[C@@H]1C=C(O[Si](C)(C)C)CCCC1.
What is the InChIKey of [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane?
The InChIKey is RWDSZBBASKWVCD-NSHDSACASA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-11-8-6-7-9-12(10-11)13-14(2,3)4/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane?
[(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethylcyclohepten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 45095070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).